N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide

C16H19N3O4S — CID 731844

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C16H19N3O4S/c1-10(2)9-15(20)17-13-5-7-14(8-6-13)24(21,22)19-16-11(3)12(4)18-23-16/h5-9,19H,1-4H3,(H,17,20)
InChIKeyJCDCQBVBLOEDRQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.00
Rot. Bonds5

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide (PubChem CID 731844) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide
PubChem CID731844
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C16H19N3O4S/c1-10(2)9-15(20)17-13-5-7-14(8-6-13)24(21,22)19-16-11(3)12(4)18-23-16/h5-9,19H,1-4H3,(H,17,20)
InChIKeyJCDCQBVBLOEDRQ-UHFFFAOYSA-N
XLogP3.00
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide (CID 731844) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide?
The InChIKey is JCDCQBVBLOEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10(2)9-15(20)17-13-5-7-14(8-6-13)24(21,22)19-16-11(3)12(4)18-23-16/h5-9,19H,1-4H3,(H,17,20).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide has a molecular weight of 349.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 731844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).